2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-methoxypentanoic acid

C12H19NO5S2 — CID 81077958

IUPAC2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-methoxypentanoic acid
SMILESCCc1ccc(S(=O)(=O)NC(CCCOC)C(=O)O)s1
InChIInChI=1S/C12H19NO5S2/c1-3-9-6-7-11(19-9)20(16,17)13-10(12(14)15)5-4-8-18-2/h6-7,10,13H,3-5,8H2,1-2H3,(H,14,15)
InChIKeyRADGIQRYLAXGGF-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.47
Rot. Bonds9

About 2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-methoxypentanoic acid

2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-methoxypentanoic acid (PubChem CID 81077958) has the molecular formula C12H19NO5S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-methoxypentanoic acid
PubChem CID81077958
Molecular FormulaC12H19NO5S2
Molecular Weight321.42 g/mol
Exact Mass321.07
IUPAC Name2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-methoxypentanoic acid
SMILESCCc1ccc(S(=O)(=O)NC(CCCOC)C(=O)O)s1
InChIInChI=1S/C12H19NO5S2/c1-3-9-6-7-11(19-9)20(16,17)13-10(12(14)15)5-4-8-18-2/h6-7,10,13H,3-5,8H2,1-2H3,(H,14,15)
InChIKeyRADGIQRYLAXGGF-UHFFFAOYSA-N
XLogP1.47
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 82780936
2-[(5-ethylthiophen-2-yl)sulfonylamino]pentanoic acid
CID 54947261
2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid
CID 54947368
(2S)-5-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-oxopentanoic acid
CID 61454387
(2R)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
CID 78975611
(2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
CID 61454349
4-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-oxobutanoic acid
CID 61072627
4-methoxy-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid
CID 62478448
2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-hydroxybutanoic acid
CID 61072333
2-[(3,5-dimethylphenyl)sulfonylamino]-5-methoxypentanoic acid
CID 81086194
5-ethyl-N-propan-2-ylthiophene-2-sulfonamide
CID 61059652
(2S)-2-[(5-bromothiophen-2-yl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 104935678

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-methoxypentanoic acid?
The IUPAC name of 2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-methoxypentanoic acid (CID 81077958) is 2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-methoxypentanoic acid.
What is the SMILES notation for 2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-methoxypentanoic acid?
The canonical SMILES for 2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-methoxypentanoic acid is CCc1ccc(S(=O)(=O)NC(CCCOC)C(=O)O)s1.
What is the InChIKey of 2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-methoxypentanoic acid?
The InChIKey is RADGIQRYLAXGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5S2/c1-3-9-6-7-11(19-9)20(16,17)13-10(12(14)15)5-4-8-18-2/h6-7,10,13H,3-5,8H2,1-2H3,(H,14,15).
What are the key properties of 2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-methoxypentanoic acid?
2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-methoxypentanoic acid has a molecular weight of 321.42 g/mol, XLogP of 1.47, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-methoxypentanoic acid is sourced from PubChem (CID 81077958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).